Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9776653 | 0.87 | KMT2A (0.45) | CYP1A2ALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL9776582 | 0.83 | KMT2A (0.47) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL10615162 | 0.83 | KMT2A (0.47) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL9776647 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPK1MEN1KMT2AMAPT | |
| SCHEMBL10696970 | 0.78 | TSHR (0.46) | MEN1KMT2AANPEPERAP2ERAP1 | |
| SCHEMBL5968972 | 0.76 | KMT2A (0.46) | ALDH1A1MEN1KMT2ACYP19A1 | |
| SCHEMBL5968978 | 0.76 | KMT2A (0.46) | ALDH1A1MEN1KMT2ACYP19A1 | |
| SCHEMBL19203464 | 0.76 | ALDH1A1 (0.52) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6507266 | 0.73 | KMT2A (0.47) | ALDH1A1MAPK1MEN1KMT2AMAPT | |
| SCHEMBL5080014 | 0.73 | KMT2A (0.47) | ALDH1A1MAPK1MEN1KMT2AMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0206993-B1 | SULPHONIC-ACID ESTERS | CIBA-GEIGY AG (CH) | 1990-05-23 | — | — | EP | claimed |
| US-4785089-A | Novel sulfonic acid esters and their preparation | CIBA-GEIGY CORPORATION (US) | 1988-11-15 | — | — | US | claimed |
| US-5066801-A | PREPARATION OF SULFONIC ACID ESTERS | CIBA-GEIGY CORPORATION (US) | 1991-11-19 | — | — | US | disclosed |
| US-4785089-A | Novel sulfonic acid esters and their preparation | CIBA-GEIGY CORPORATION (US) | 1988-11-15 | — | — | US | disclosed |